8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline

C16H13N3O3 — CID 133391380

IUPAC8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
SMILESCc1cccc(Oc2ncnc3c(C)cccc23)c1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O3/c1-10-5-3-7-12-14(10)17-9-18-16(12)22-13-8-4-6-11(2)15(13)19(20)21/h3-9H,1-2H3
InChIKeyMBGBLLMAGGZVAQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.95
Rot. Bonds3

About 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline

8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline (PubChem CID 133391380) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline.

Molecular Properties

Compound Name8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
PubChem CID133391380
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
SMILESCc1cccc(Oc2ncnc3c(C)cccc23)c1[N+](=O)[O-]
InChIInChI=1S/C16H13N3O3/c1-10-5-3-7-12-14(10)17-9-18-16(12)22-13-8-4-6-11(2)15(13)19(20)21/h3-9H,1-2H3
InChIKeyMBGBLLMAGGZVAQ-UHFFFAOYSA-N
XLogP3.95
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline
CID 133391332
1-methyl-2-nitro-3-[3,3,4,4-tetrafluoro-2-(3-methyl-2-nitrophenoxy)cyclobuten-1-yl]oxybenzene
CID 121234928
2-chloro-5-methyl-4-(3-methyl-2-nitrophenoxy)pyrimidine
CID 79076039
2-(3-methyl-2-nitrophenoxy)phenol
CID 114041918
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
2-methyl-8-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)oxyquinoline
CID 23479881
N-ethyl-6-(3-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80875927
5-chloro-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80871149
3-fluoro-4-(8-methylquinazolin-4-yl)oxybenzaldehyde
CID 133417122
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline
CID 133384134
4-(3-methyl-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 61037967

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline?
The IUPAC name of 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline (CID 133391380) is 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline.
What is the SMILES notation for 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline?
The canonical SMILES for 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline is Cc1cccc(Oc2ncnc3c(C)cccc23)c1[N+](=O)[O-].
What is the InChIKey of 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline?
The InChIKey is MBGBLLMAGGZVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-5-3-7-12-14(10)17-9-18-16(12)22-13-8-4-6-11(2)15(13)19(20)21/h3-9H,1-2H3.
What are the key properties of 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline?
8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline has a molecular weight of 295.30 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(3-methyl-2-nitrophenoxy)quinazoline is sourced from PubChem (CID 133391380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).